methyl 2-hydroxy-5-[2-tri(propan-2-yl)silyloxyethyl]cyclohexane-1-carboxylate

C19H38O4Si — CID 23549535

IUPACmethyl 2-hydroxy-5-[2-tri(propan-2-yl)silyloxyethyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CC(CCO[Si](C(C)C)(C(C)C)C(C)C)CCC1O
InChIInChI=1S/C19H38O4Si/c1-13(2)24(14(3)4,15(5)6)23-11-10-16-8-9-18(20)17(12-16)19(21)22-7/h13-18,20H,8-12H2,1-7H3
InChIKeyMSPMZAQBQYTQFG-UHFFFAOYSA-N
MW358.60 g/mol
LogP4.52
Rot. Bonds8

About methyl 2-hydroxy-5-[2-tri(propan-2-yl)silyloxyethyl]cyclohexane-1-carboxylate

methyl 2-hydroxy-5-[2-tri(propan-2-yl)silyloxyethyl]cyclohexane-1-carboxylate (PubChem CID 23549535) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is methyl 2-hydroxy-5-[2-tri(propan-2-yl)silyloxyethyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-hydroxy-5-[2-tri(propan-2-yl)silyloxyethyl]cyclohexane-1-carboxylate
PubChem CID23549535
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Namemethyl 2-hydroxy-5-[2-tri(propan-2-yl)silyloxyethyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CC(CCO[Si](C(C)C)(C(C)C)C(C)C)CCC1O
InChIInChI=1S/C19H38O4Si/c1-13(2)24(14(3)4,15(5)6)23-11-10-16-8-9-18(20)17(12-16)19(21)22-7/h13-18,20H,8-12H2,1-7H3
InChIKeyMSPMZAQBQYTQFG-UHFFFAOYSA-N
XLogP4.52
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-5-[2-tri(propan-2-yl)silyloxyethyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-hydroxy-5-[2-tri(propan-2-yl)silyloxyethyl]cyclohexane-1-carboxylate (CID 23549535) is methyl 2-hydroxy-5-[2-tri(propan-2-yl)silyloxyethyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-hydroxy-5-[2-tri(propan-2-yl)silyloxyethyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-hydroxy-5-[2-tri(propan-2-yl)silyloxyethyl]cyclohexane-1-carboxylate is COC(=O)C1CC(CCO[Si](C(C)C)(C(C)C)C(C)C)CCC1O.
What is the InChIKey of methyl 2-hydroxy-5-[2-tri(propan-2-yl)silyloxyethyl]cyclohexane-1-carboxylate?
The InChIKey is MSPMZAQBQYTQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O4Si/c1-13(2)24(14(3)4,15(5)6)23-11-10-16-8-9-18(20)17(12-16)19(21)22-7/h13-18,20H,8-12H2,1-7H3.
What are the key properties of methyl 2-hydroxy-5-[2-tri(propan-2-yl)silyloxyethyl]cyclohexane-1-carboxylate?
methyl 2-hydroxy-5-[2-tri(propan-2-yl)silyloxyethyl]cyclohexane-1-carboxylate has a molecular weight of 358.60 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-5-[2-tri(propan-2-yl)silyloxyethyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 23549535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).